Análise do método suvrel na expressão diferencial a partir da matriz de contagens gerada com dados de RNA-SEQ

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Energia eletrônica e polarizabilidade da mólecula de hidrogênio ionizada confinada

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Equação de Fokker-Planck e enovelamento de proteínas

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Confinamento das moléculas H2 e O2 como modelo para o estudo da ligação ligante-sítio ativo em macromoléculas biológicas

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Quantum confinement in hydrogen bond

In this work, the quantum confinement effect is proposed as the cause of the displacement of the vibrational spectrum of molecular groups that involve hydrogen bonds. In this approach, the hydrogen bond imposes a space barrier to hydrogen and constrains its oscillatory motion. We studied the vibrational transitions through the Morse potential, for the NH and OH molecular groups inside macromolecules in situation of confinement (when hydrogen bonding is formed) and nonconfinement (when there is no hydrogen bonding). The energies were obtained through the variational method with the trial wave functions obtained from supersymmetric quantum mechanics formalism. The results indicate that it is possible to distinguish the emission peaks related to the existence of the hydrogen bonds. These analytical results were satisfactorily compared with experimental results obtained from infrared spectroscopy. (c) 2015 Wiley Periodicals, Inc.

Quantum confinement in hydrogen bond of DNA and RNA

The hydrogen bond is a fundamental ingredient to stabilize the DNA and RNA macromolecules. The main contribution of this work is to describe quantitatively this interaction as a consequence of the quantum confinement of the hydrogen. The results for the free and confined system are compared with experimental data. The formalism to compute the energy gap of the vibration motion used to identify the spectrum lines is the Variational Method allied to Supersymmetric Quantum Mechanics.

Variational iterative method for scattering problems

A parameter-free variational iterative method is proposed for scattering problems. The present method yields results that are far better, in convergence, stability and precision, than any other momentum space method. Accurate result is obtained for the atomic exponential (Yukawa) potential with an estimated error of less than 1 in 1015 (1010) after some 13 (10) iterations.

COMPLEX KOHN VARIATIONAL PRINCIPLE FOR 2-NUCLEON BOUND-STATE AND SCATTERING WITH THE TENSOR POTENTIAL

Complex Kohn variational principle is applied to the numerical solution of the fully off-shell Lippmann-Schwinger equation for nucleon-nucleon scattering for various partial waves including the coupled S-3(1), D-3(1), channel. Analytic expressions are obtained for all the integrals in the method for a suitable choice of expansion functions. Calculations with the partial waves S-1(0), P-1(1), D-1(2), and S-3(1)-D-3(1) of the Reid soft core potential show that the method converges faster than other solution schemes not only for the phase shift but also for the off-shell t matrix elements. We also show that it is trivial to modify this variational principle in order to make it suitable for bound-state calculation. The bound-state approach is illustrated for the S-3(1)-D-3(1) channel of the Reid soft-core potential for calculating the deuteron binding, wave function, and the D state asymptotic parameters. (c) 1995 Academic Press, Inc.

DIRAC CONFINEMENT BY A VARIATIONAL APPROACH

An analytical approximate method for the Dirac equation with confining power law scalar plus vector potentials, applicable to the problem of the relativistic quark confinement, is presented. The method consists in an improved version of a saddle-point variational approach and it is applied to the fundamental state of massless single quarks for some especial cases of physical interest. Our treatment emphasizes aspects such as the quantum-mechanical relativistic Virial theorem, the saddle-point character of the critical point of the expectation value of the total energy, as well as the Klein paradox and the behaviour of the saddle-point variational energies and wave functions.